4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C15H8Cl2N4O — CID 10687921

IUPAC4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccc(Cl)cc2)nc2c(Cl)nc3ccccc3n12
InChIInChI=1S/C15H8Cl2N4O/c16-9-5-7-10(8-6-9)21-15(22)20-12-4-2-1-3-11(12)18-13(17)14(20)19-21/h1-8H
InChIKeyJBFRIMHPFXLRRU-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.34
Rot. Bonds1

About 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10687921) has the molecular formula C15H8Cl2N4O and a molecular weight of 331.16 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10687921
Molecular FormulaC15H8Cl2N4O
Molecular Weight331.16 g/mol
Exact Mass330.01
IUPAC Name4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccc(Cl)cc2)nc2c(Cl)nc3ccccc3n12
InChIInChI=1S/C15H8Cl2N4O/c16-9-5-7-10(8-6-9)21-15(22)20-12-4-2-1-3-11(12)18-13(17)14(20)19-21/h1-8H
InChIKeyJBFRIMHPFXLRRU-UHFFFAOYSA-N
XLogP3.34
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-nitro-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11325315
N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
CID 11533636
3-iodo-N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzamide
CID 44586054
N-[2-(4-nitrophenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-2,2-diphenylacetamide
CID 11533655
2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 177452003
5-phosphanylbenzimidazolo[1,2-c]quinazolin-6-one
CID 71176384
1,4-dichloroimidazo[1,5-a]quinoxaline
CID 56616172
1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one
CID 20565489
3-phenyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)-[1,2,4]triazolo[4,3-a]benzimidazole
CID 11236662
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176
4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 25106995
N-[3-(4-chlorophenyl)-5-pyrimido[1,2-a]benzimidazol-4-yl-1,3,4-thiadiazol-2-ylidene]benzamide
CID 86574397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10687921) is 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccc(Cl)cc2)nc2c(Cl)nc3ccccc3n12.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is JBFRIMHPFXLRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O/c16-9-5-7-10(8-6-9)21-15(22)20-12-4-2-1-3-11(12)18-13(17)14(20)19-21/h1-8H.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 331.16 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10687921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).